6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid

C14H14F3NO2 — CID 146220544

IUPAC6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid
SMILESC1=C(c2ccccc2)CC12CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13N.C2HF3O2/c1-2-4-10(5-3-1)11-6-12(7-11)8-13-9-12;3-2(4,5)1(6)7/h1-6,13H,7-9H2;(H,6,7)
InChIKeyFXEPMCVZPJUYRX-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.70
Rot. Bonds1

About 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid

6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid (PubChem CID 146220544) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid
PubChem CID146220544
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid
SMILESC1=C(c2ccccc2)CC12CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13N.C2HF3O2/c1-2-4-10(5-3-1)11-6-12(7-11)8-13-9-12;3-2(4,5)1(6)7/h1-6,13H,7-9H2;(H,6,7)
InChIKeyFXEPMCVZPJUYRX-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 145948161
CID 145948161
CID 134691070
CID 134691070
CID 155819917
CID 155819917
CID 165995953
CID 165995953
CID 170918437
CID 170918437
CID 170918588
CID 170918588
CID 177800775
CID 177800775
CID 11311890
CID 11311890
CID 12196279
CID 12196279
CID 67087057
CID 67087057
CID 68007005
CID 68007005
CID 69038375
CID 69038375

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid (CID 146220544) is 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid is C1=C(c2ccccc2)CC12CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid?
The InChIKey is FXEPMCVZPJUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C2HF3O2/c1-2-4-10(5-3-1)11-6-12(7-11)8-13-9-12;3-2(4,5)1(6)7/h1-6,13H,7-9H2;(H,6,7).
What are the key properties of 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid?
6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid has a molecular weight of 285.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-azaspiro[3.3]hept-6-ene;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146220544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).